HMDB0034069 RDKit 3D cis-Sinapic acid 28 28 0 0 0 0 0 0 0 0999 V2000 -2.6260 -3.3366 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7715 -1.9522 0.1162 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7160 -1.0537 -0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4102 -1.4451 -0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6597 -0.5243 -0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9688 -1.0513 -0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0686 -0.5646 -0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2378 0.5973 0.7706 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4273 1.3876 1.2793 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6103 0.9253 1.0377 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 0.7779 -0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 1.2018 -0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3688 2.5464 -0.2260 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3469 3.5359 -0.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0574 0.2799 -0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4087 0.6750 0.0408 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7063 -3.7692 -0.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 -3.8166 0.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6796 -3.6127 0.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1527 -2.4955 -0.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0662 -2.0067 -1.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0116 -1.1117 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8623 1.8756 0.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9695 1.5767 -0.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4506 3.3467 0.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0437 3.4662 -1.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7524 4.5367 -0.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1478 0.0112 0.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 5 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 2 0 15 16 1 0 15 3 1 0 1 17 1 0 1 18 1 0 1 19 1 0 4 20 1 0 6 21 1 0 7 22 1 0 10 23 1 0 11 24 1 0 14 25 1 0 14 26 1 0 14 27 1 0 16 28 1 0 M END